Structure Information
Structure

Compound Identification

SMILES

OC1(O)CC2=C(SC(N=C([O-])C[NH+]3CCCC3)=N2)C(=O)C1

InChIKey

InChIKey=KNZANXIAOIZLDP-UHFFFAOYSA-N

Formula

C13H17N3O4S

Mass

311.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones

Direct Parent

Aryl alkyl ketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl alkyl ketone - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Quaternary ammonium salt - Tertiary aliphatic amine - Carbonyl hydrate - Carboximidic acid - Azacycle - Organoheterocyclic compound - 1,1-diol - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

External Descriptors

Not available

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